| SpectraBase Compound ID | Fv4CeVdAklO |
|---|---|
| InChI | InChI=1S/C22H20F6O5/c1-20-7-6-13-12-5-3-11(32-18(30)21(23,24)25)8-10(12)2-4-14(13)15(20)9-16(17(20)29)33-19(31)22(26,27)28/h3,5,8,13-16H,2,4,6-7,9H2,1H3 |
| InChIKey | UMQDMZKPNXRPDL-UHFFFAOYSA-N |
| Mol Weight | 478.39 g/mol |
| Molecular Formula | C22H20F6O5 |
| Exact Mass | 478.121493 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5DeyEx3yICx |
|---|---|
| Name | Estra-1,3,5(10)-trien-17-one, 3,16.alpha.-dihydroxy-, bis(trifluoroacetate) |
| CAS Registry Number | 30519-83-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H20F6O5 |
| InChI | InChI=1S/C22H20F6O5/c1-20-7-6-13-12-5-3-11(32-18(30)21(23,24)25)8-10(12)2-4-14(13)15(20)9-16(17(20)29)33-19(31)22(26,27)28/h3,5,8,13-16H,2,4,6-7,9H2,1H3 |
| InChIKey | UMQDMZKPNXRPDL-UHFFFAOYSA-N |
| Molecular Weight | 478.387 g/mol |
| SMILES | CC12CCC3c4ccc(cc4CCC3C2CC(C1=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| SPLASH | splash10-03di-3988300000-c3cf19b3b3e43ff39538 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 17-Oxo-16-[(trifluoroacetyl)oxy]estra-1,3,5(10)-trien-3-yl trifluoroacetate 2,2,2-trifluoroacetic acid [13-methyl-17-oxo-3-(2,2,2-trifluoro-1-oxoethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ester [13-methyl-17-oxo-3-(2,2,2-trifluoroacetyl)oxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] 2,2,2-trifluoroacetate [13-methyl-17-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 1394650 |